chempirical

1-Adamantanecarboxaldehyde

C11H16OCAS 2094-74-8164.25 g/mol

Open in Covalent MOL file
O
Aldehyde

Properties

Molecular formula
C11H16O
Molar mass
164.25 g/mol
Exact mass
164.1201 Da
logP
2.40Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
2094-74-8
SMILES
C1C2CC3CC1CC(C2)(C3)C=O
InChIKey
DZULQZKFBAHSRX-UHFFFAOYSA-N
InChI
InChI=1S/C11H16O/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h7-10H,1-6H2

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Names and synonyms

1 names
  • 1-Adamantane carboxaldehyde

Work with 1-Adamantanecarboxaldehyde

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Di-1-adamantylphosphine131211-27-335 % similar 1-Adamantylthiol34301-54-735 % similar 1-Bromoadamantane768-90-135 % similar Amantadine768-94-535 % similar 1-Adamantanol768-95-635 % similar 1-Chloroadamantane935-56-835 % similar 1-Acetyladamantane1660-04-432 % similar 1-Adamantanecarbonyl chloride2094-72-632 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Methyl-4-phenyl-2-butanol103-05-9 5-Phenyl-1-pentanol10521-91-2 4-Pentylphenol14938-35-3 2-tert-Butyl-6-methylphenol2219-82-1 2-tert-Butyl-4-methylphenol2409-55-4 Jasmone488-10-8 4-tert-Butylanisole5396-38-3 1-Phenyl-1-pentanol583-03-9

Elsewhere

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